#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1f s ASP 10 N 0.00 4.56 -0.28 6.12 -1.08 -1.26 -5.09 116.67 119.65 3g1f s ASP 10 Ca 0.00 -1.05 -0.10 0.00 -0.52 0.00 0.00 52.55 50.88 3g1f s ASP 10 Cb 0.00 -1.68 -0.04 0.00 -1.46 0.00 0.00 42.92 39.74 3g1f s ASP 10 CO 0.00 -0.18 0.15 -0.69 0.52 0.00 0.00 175.17 174.97 3g1f s VAL 11 N 1.29 4.91 0.18 1.11 1.01 -1.26 -5.04 120.40 122.61 3g1f s VAL 11 Ca -0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 3g1f s VAL 11 Cb -0.18 -3.36 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 3g1f s VAL 11 CO -0.03 0.24 1.26 0.80 0.00 0.00 0.00 175.10 177.36 3g1f n MET 12 N 5.01 1.43 -0.88 2.72 1.56 -1.26 -1.17 117.12 124.53 3g1f n MET 12 Ca -0.15 0.51 -0.04 0.00 -0.27 0.00 0.00 57.70 57.76 3g1f n MET 12 Cb 0.51 -2.07 -0.02 0.00 2.15 0.00 0.00 33.22 33.80 3g1f n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g1f n ASN 13 N 2.13 -4.00 -1.82 6.12 4.13 -1.26 -2.62 115.26 117.94 3g1f n ASN 13 Ca 0.14 0.10 -0.18 0.00 1.68 0.00 0.00 54.58 56.32 3g1f n ASN 13 Cb 0.26 -2.80 -0.05 0.00 -1.54 0.00 0.00 39.78 35.65 3g1f n ASN 13 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3g1f n ARG 14 N -0.03 -1.56 -4.41 3.52 1.74 -0.32 -4.94 116.66 110.66 3g1f n ARG 14 Ca -0.04 0.98 -0.33 0.00 -0.77 0.00 0.00 57.85 57.70 3g1f n ARG 14 Cb 0.38 -5.42 -0.16 0.00 -1.02 0.00 0.00 32.46 26.23 3g1f n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3g1f s LEU 15 N -4.87 2.12 -0.28 0.55 2.96 -1.08 -1.35 118.68 116.73 3g1f s LEU 15 Ca 0.00 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3g1f s LEU 15 Cb 0.00 -1.46 0.03 0.00 0.50 0.00 0.00 46.19 45.26 3g1f s LEU 15 CO 0.00 0.04 0.00 -0.63 -1.32 0.00 0.00 176.35 174.45 3g1f s ILE 16 N 1.04 3.21 -0.09 6.68 1.01 0.15 -4.55 121.20 128.65 3g1f s ILE 16 Ca -0.01 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 3g1f s ILE 16 Cb -0.14 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3g1f s ILE 16 CO -0.07 0.04 1.18 -0.22 0.00 0.00 0.00 174.94 175.87 3g1f s LEU 17 N 1.34 4.25 -0.49 2.97 2.96 -0.73 -1.93 118.68 127.05 3g1f s LEU 17 Ca -0.01 1.73 -0.19 0.00 -0.22 0.00 0.00 54.13 55.44 3g1f s LEU 17 Cb -0.18 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.01 3g1f s LEU 17 CO -0.01 -0.61 0.61 0.00 -1.32 0.00 0.00 176.35 175.02 3g1f s ALA 18 N 2.49 3.39 -0.78 5.97 0.00 -0.30 0.35 121.76 132.88 3g1f s ALA 18 Ca 0.54 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 3g1f s ALA 18 Cb -0.23 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.64 3g1f s ALA 18 CO 0.19 -1.93 1.20 1.41 0.00 0.00 0.00 175.76 176.62 3g1f s MET 19 N 2.60 3.27 -0.19 0.00 1.75 -1.17 -4.54 119.30 121.02 3g1f s MET 19 Ca 0.16 -0.72 0.15 0.00 -1.25 0.00 0.00 55.69 54.03 3g1f s MET 19 Cb -0.18 -4.46 0.43 0.00 2.84 0.00 0.00 34.83 33.45 3g1f s MET 19 CO 0.13 -2.02 1.31 -0.25 -0.65 0.00 0.00 175.02 173.54 3g1f n ASP 20 N 8.51 2.76 -4.80 1.11 8.00 -1.26 -4.23 116.55 126.64 3g1f n ASP 20 Ca 0.08 -3.33 -0.35 0.00 0.71 0.00 0.00 54.79 51.90 3g1f n ASP 20 Cb 0.48 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.99 3g1f n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1f s LEU 21 N -2.99 4.12 0.00 0.64 1.43 -1.26 -4.81 118.68 115.80 3g1f s LEU 21 Ca 0.39 1.77 0.23 0.00 -1.03 0.00 0.00 54.13 55.49 3g1f s LEU 21 Cb 0.34 -4.30 0.21 0.00 0.03 0.00 0.00 46.19 42.47 3g1f s LEU 21 CO 0.03 -0.24 1.26 0.23 0.23 0.00 0.00 176.35 177.85 3g1f n MET 22 N -0.11 2.27 -3.96 1.70 2.81 -1.26 -4.37 117.12 114.19 3g1f n MET 22 Ca 0.05 -1.94 -0.35 0.00 -1.81 0.00 0.00 57.70 53.65 3g1f n MET 22 Cb 0.52 -1.45 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 3g1f n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g1f s ASN 23 N -1.88 4.21 0.34 7.83 4.22 -1.26 -4.84 114.94 123.55 3g1f s ASN 23 Ca 0.29 -0.40 0.11 0.00 -2.14 0.00 0.00 52.86 50.72 3g1f s ASN 23 Cb 0.20 -1.71 1.06 0.00 1.28 0.00 0.00 41.25 42.07 3g1f s ASN 23 CO 0.29 -0.01 1.57 -0.09 -2.04 0.00 0.00 177.10 176.83 3g1f h ARG 24 N 8.02 0.00 0.74 3.55 2.43 -1.90 -1.66 114.38 125.56 3g1f h ARG 24 Ca -0.41 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3g1f h ARG 24 Cb 1.16 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3g1f h ARG 24 CO 0.60 0.00 -0.35 -0.44 -1.51 0.00 0.00 179.97 178.27 3g1f h ASP 25 N 0.00 -0.84 -0.38 -3.80 3.32 -1.98 -0.03 116.42 112.71 3g1f h ASP 25 Ca 0.73 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.87 3g1f h ASP 25 Cb 1.75 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 41.45 3g1f h ASP 25 CO -0.85 -0.55 0.02 0.44 -1.72 0.00 0.00 179.24 176.59 3g1f h ASP 26 N -1.09 -0.10 -0.52 6.45 3.32 -1.90 0.31 116.42 122.88 3g1f h ASP 26 Ca -0.10 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.13 3g1f h ASP 26 Cb 0.76 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 3g1f h ASP 26 CO 0.17 -0.02 0.05 0.00 -1.72 0.00 0.00 179.24 177.72 3g1f h ALA 27 N 1.32 0.54 -0.13 3.45 0.00 -1.31 0.11 119.26 123.25 3g1f h ALA 27 Ca 0.19 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3g1f h ALA 27 Cb 0.25 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3g1f h ALA 27 CO -0.29 -0.35 -0.02 -0.07 0.00 0.00 0.00 179.25 178.52 3g1f h LEU 28 N 0.17 0.24 0.21 0.00 3.38 -0.16 -0.77 115.31 118.38 3g1f h LEU 28 Ca 0.26 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3g1f h LEU 28 Cb 0.39 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3g1f h LEU 28 CO -0.39 0.53 -0.23 -0.09 0.09 0.00 0.00 178.44 178.35 3g1f h ARG 29 N -0.05 -0.46 -0.58 1.13 2.43 0.19 -1.59 114.38 115.44 3g1f h ARG 29 Ca 0.03 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3g1f h ARG 29 Cb 0.42 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3g1f h ARG 29 CO 0.01 -0.31 0.19 0.28 -1.51 0.00 0.00 179.97 178.63 3g1f h VAL 30 N -0.48 1.22 0.14 0.20 2.07 -0.83 -0.56 116.25 118.01 3g1f h VAL 30 Ca 0.00 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3g1f h VAL 30 Cb 0.46 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3g1f h VAL 30 CO -0.07 0.29 -0.07 0.74 0.02 0.00 0.00 177.57 178.48 3g1f h THR 31 N 0.84 0.91 -0.45 2.57 2.02 -0.88 -2.64 112.91 115.28 3g1f h THR 31 Ca 0.19 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3g1f h THR 31 Cb 0.23 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3g1f h THR 31 CO -0.01 0.04 0.24 1.23 0.37 0.00 0.00 175.52 177.40 3g1f h GLY 32 N -0.27 0.66 1.47 2.16 0.00 -1.07 -2.03 103.07 103.99 3g1f h GLY 32 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3g1f h GLY 32 CO 0.03 0.27 0.00 1.18 0.00 0.00 0.00 176.54 178.02 3g1f n GLU 33 N -4.42 0.10 0.00 4.80 1.02 -0.24 -2.27 120.64 119.64 3g1f n GLU 33 Ca 0.04 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3g1f n GLU 33 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3g1f n GLU 33 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3g1f n VAL 34 N -1.24 0.14 -0.40 2.62 0.24 -0.80 -3.96 118.33 114.94 3g1f n VAL 34 Ca 0.03 -0.23 0.34 0.00 -2.04 0.00 0.00 64.34 62.45 3g1f n VAL 34 Cb 0.04 1.31 0.66 0.00 -1.47 0.00 0.00 33.84 34.38 3g1f n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3g1f h ARG 35 N 0.00 0.14 -0.03 7.34 9.65 -1.10 0.37 114.38 130.75 3g1f h ARG 35 Ca 0.00 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3g1f h ARG 35 Cb 0.57 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3g1f h ARG 35 CO 0.00 0.09 0.02 1.49 2.80 0.00 0.00 179.97 184.37 3g1f h GLU 36 N 0.14 0.00 0.00 0.20 4.81 -1.87 -3.05 114.58 114.81 3g1f h GLU 36 Ca 0.69 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.92 3g1f h GLU 36 Cb 2.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.68 3g1f h GLU 36 CO -0.21 0.00 -0.70 0.66 -0.73 0.00 0.00 179.01 178.03 3g1f n TYR 37 N -4.29 0.00 -3.91 0.92 4.02 0.13 -5.01 117.16 109.02 3g1f n TYR 37 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.76 3g1f n TYR 37 Cb 0.12 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 39.30 3g1f n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3g1f s ILE 38 N -2.26 0.09 -0.06 -0.72 -5.25 -1.04 -4.55 121.20 107.40 3g1f s ILE 38 Ca 0.04 -0.75 0.09 0.00 -0.99 0.00 0.00 60.65 59.04 3g1f s ILE 38 Cb 0.09 -0.35 0.14 0.00 2.95 0.00 0.00 42.46 45.29 3g1f s ILE 38 CO 0.52 -0.41 1.03 -0.90 -1.79 0.00 0.00 174.94 173.38 3g1f n ASP 39 N 1.58 1.40 -3.64 4.36 5.75 -1.26 -4.51 116.55 120.22 3g1f n ASP 39 Ca -0.23 -2.42 -0.17 0.00 -0.01 0.00 0.00 54.79 51.96 3g1f n ASP 39 Cb 0.55 -0.26 -0.15 0.00 -1.03 0.00 0.00 41.12 40.23 3g1f n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g1f s THR 40 N -1.50 -0.28 -0.02 2.12 2.01 -1.26 -1.00 115.64 115.70 3g1f s THR 40 Ca 0.15 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.47 3g1f s THR 40 Cb 0.13 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 3g1f s THR 40 CO 0.01 0.08 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.13 3g1f s VAL 41 N 2.31 2.60 -0.94 3.82 1.01 -0.37 -1.77 120.40 127.06 3g1f s VAL 41 Ca 0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3g1f s VAL 41 Cb -0.13 -1.99 0.24 0.00 0.00 0.00 0.00 36.38 34.50 3g1f s VAL 41 CO -0.07 0.54 0.89 -0.75 0.00 0.00 0.00 175.10 175.71 3g1f s LYS 42 N -0.81 3.77 0.36 2.72 2.20 0.16 -1.64 119.74 126.50 3g1f s LYS 42 Ca 0.11 -2.84 -0.27 0.00 -0.36 0.00 0.00 55.97 52.61 3g1f s LYS 42 Cb -0.10 -4.40 -0.09 0.00 -1.51 0.00 0.00 37.83 31.72 3g1f s LYS 42 CO 0.01 -1.26 1.25 0.42 -0.36 0.00 0.00 175.35 175.40 3g1f s ILE 43 N -0.56 2.88 0.16 5.43 -1.09 -0.77 -3.04 121.20 124.21 3g1f s ILE 43 Ca 0.24 0.82 0.02 0.00 -2.23 0.00 0.00 60.65 59.50 3g1f s ILE 43 Cb -0.10 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 3g1f s ILE 43 CO -0.08 0.15 0.08 0.61 -1.23 0.00 0.00 174.94 174.46 3g1f n GLY 44 N 0.76 3.70 0.29 6.18 0.00 -1.26 -0.30 105.19 114.56 3g1f n GLY 44 Ca 0.02 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 3g1f n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1f h TYR 45 N 1.33 1.05 -0.89 1.61 0.99 -1.96 -1.13 116.97 117.96 3g1f h TYR 45 Ca -0.12 -0.11 0.23 0.00 2.00 0.00 0.00 58.73 60.73 3g1f h TYR 45 Cb 0.50 -0.30 -0.16 0.00 1.00 0.00 0.00 36.73 37.77 3g1f h TYR 45 CO 0.00 0.86 0.07 -1.35 -0.00 0.00 0.00 178.16 177.75 3g1f h PRO 46 N 0.93 0.09 0.13 4.88 0.11 -1.94 0.36 132.00 136.56 3g1f h PRO 46 Ca 0.20 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.06 3g1f h PRO 46 Cb 0.32 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.42 3g1f h PRO 46 CO -0.00 0.06 -1.19 1.25 -0.21 0.00 0.00 178.00 177.90 3g1f h LEU 47 N 0.09 0.43 -0.77 2.35 5.85 -1.72 -3.31 115.31 118.22 3g1f h LEU 47 Ca 0.53 -0.89 -0.13 0.00 0.84 0.00 0.00 57.88 58.23 3g1f h LEU 47 Cb 1.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3g1f h LEU 47 CO -0.77 1.54 -0.61 0.58 -0.34 0.00 0.00 178.44 178.84 3g1f h VAL 48 N -0.32 1.41 -0.21 1.05 2.07 -0.65 -2.86 116.25 116.74 3g1f h VAL 48 Ca -0.24 -2.09 -0.18 0.00 0.82 0.00 0.00 66.70 65.00 3g1f h VAL 48 Cb 1.73 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 3g1f h VAL 48 CO 0.10 0.59 -0.60 -0.07 0.02 0.00 0.00 177.57 177.61 3g1f h LEU 49 N 0.00 0.81 -3.46 2.57 3.38 -0.47 -0.29 115.31 117.85 3g1f h LEU 49 Ca -0.01 -0.46 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 3g1f h LEU 49 Cb 1.08 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 3g1f h LEU 49 CO 0.08 1.22 0.18 -1.54 0.09 0.00 0.00 178.44 178.47 3g1f n SER 50 N -3.96 4.82 0.00 -0.43 3.41 -1.20 -4.38 113.62 111.88 3g1f n SER 50 Ca -0.04 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 3g1f n SER 50 Cb 0.65 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3g1f n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g1f n GLU 51 N 0.11 0.57 0.00 4.33 -0.58 -1.08 -4.90 120.64 119.09 3g1f n GLU 51 Ca 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 3g1f n GLU 51 Cb 1.25 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 32.07 3g1f n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1f n GLY 52 N 0.00 1.89 0.19 0.62 0.00 -0.12 -4.69 105.19 103.07 3g1f n GLY 52 Ca 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 3g1f n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1f h MET 53 N 0.00 0.21 0.00 1.61 2.86 -1.96 -2.88 114.93 114.78 3g1f h MET 53 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3g1f h MET 53 Cb 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g1f h MET 53 CO 0.00 0.60 0.00 -0.25 1.06 0.00 0.00 176.91 178.32 3g1f n ASP 54 N -4.02 0.00 0.10 1.22 8.00 -1.26 -1.27 116.55 119.32 3g1f n ASP 54 Ca -0.02 -0.17 0.13 0.00 0.71 0.00 0.00 54.79 55.44 3g1f n ASP 54 Cb 0.48 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.87 3g1f n ASP 54 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3g1f h ILE 55 N 0.00 0.00 0.22 0.53 6.09 -1.78 -3.02 117.51 119.55 3g1f h ILE 55 Ca 0.00 -0.55 -0.01 0.00 -1.37 0.00 0.00 64.86 62.93 3g1f h ILE 55 Cb 0.00 1.39 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3g1f h ILE 55 CO 0.00 0.00 -0.11 0.40 -3.07 0.00 0.00 178.15 175.37 3g1f h ILE 56 N 0.00 0.40 -0.36 2.19 2.04 -1.44 -2.57 117.51 117.78 3g1f h ILE 56 Ca 0.00 -0.95 0.10 0.00 1.00 0.00 0.00 64.86 65.02 3g1f h ILE 56 Cb 0.77 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3g1f h ILE 56 CO 0.00 0.11 0.28 0.00 0.00 0.00 0.00 178.15 178.54 3g1f h ALA 57 N -0.75 2.27 0.92 1.87 0.00 -1.65 -0.70 119.26 121.21 3g1f h ALA 57 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3g1f h ALA 57 Cb 0.41 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3g1f h ALA 57 CO 0.05 -0.47 -0.44 1.49 0.00 0.00 0.00 179.25 179.89 3g1f h GLU 58 N 0.00 -1.19 -1.09 0.00 4.57 -1.50 -2.87 114.58 112.50 3g1f h GLU 58 Ca 0.17 0.08 0.30 0.00 -1.18 0.00 0.00 59.36 58.73 3g1f h GLU 58 Cb 0.73 0.27 -0.07 0.00 -0.16 0.00 0.00 28.75 29.51 3g1f h GLU 58 CO -0.00 -0.79 0.74 0.74 -1.18 0.00 0.00 179.01 178.52 3g1f h PHE 59 N -1.30 0.36 -0.06 0.92 -1.00 -0.72 -2.12 116.94 113.02 3g1f h PHE 59 Ca -0.13 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 3g1f h PHE 59 Cb 0.94 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 3g1f h PHE 59 CO 0.01 0.03 0.01 0.00 -1.61 0.00 0.00 178.31 176.74 3g1f h ARG 60 N 0.21 0.09 0.30 1.51 3.08 -1.18 -2.17 114.38 116.23 3g1f h ARG 60 Ca 0.58 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.59 3g1f h ARG 60 Cb 1.83 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.87 3g1f h ARG 60 CO -0.17 0.34 -0.14 0.87 -1.07 0.00 0.00 179.97 179.80 3g1f h LYS 61 N -0.16 -0.38 -0.16 0.04 1.57 -1.24 2.63 116.57 118.86 3g1f h LYS 61 Ca 0.02 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3g1f h LYS 61 Cb 0.29 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3g1f h LYS 61 CO 0.00 -0.25 0.42 -0.09 -0.57 0.00 0.00 179.45 178.96 3g1f h ARG 62 N -0.70 0.00 0.00 3.15 2.43 -1.63 -3.15 114.38 114.48 3g1f h ARG 62 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3g1f h ARG 62 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3g1f h ARG 62 CO 0.07 0.00 -0.67 1.19 -1.51 0.00 0.00 179.97 179.05 3g1f n PHE 63 N -3.16 0.00 -3.79 2.20 0.99 -0.82 -5.03 117.46 107.85 3g1f n PHE 63 Ca 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.19 3g1f n PHE 63 Cb 0.52 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 39.04 3g1f n PHE 63 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g1f n GLY 64 N 1.69 -0.52 3.88 1.37 0.00 0.88 -4.96 105.19 107.54 3g1f n GLY 64 Ca 0.00 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 3g1f n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ARG 66 N -4.03 4.60 -0.30 0.00 1.81 -0.17 -4.75 118.95 116.11 3g1f s ARG 66 Ca 0.41 1.52 -0.01 0.00 -1.72 0.00 0.00 55.73 55.94 3g1f s ARG 66 Cb -0.07 -3.39 0.06 0.00 -0.45 0.00 0.00 34.95 31.10 3g1f s ARG 66 CO 0.28 0.04 -0.01 0.42 -0.68 0.00 0.00 175.30 175.35 3g1f s ILE 67 N 0.44 2.82 -0.33 1.52 -1.09 -1.26 -1.23 121.20 122.06 3g1f s ILE 67 Ca 0.50 -1.51 -0.14 0.00 -2.23 0.00 0.00 60.65 57.27 3g1f s ILE 67 Cb -0.24 -2.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.95 3g1f s ILE 67 CO 0.30 -0.15 0.31 -0.63 -1.23 0.00 0.00 174.94 173.54 3g1f s ILE 68 N 1.20 5.22 -0.54 2.92 1.01 -0.65 -1.08 121.20 129.29 3g1f s ILE 68 Ca -0.04 -0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 3g1f s ILE 68 Cb -0.20 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.55 3g1f s ILE 68 CO -0.02 -0.02 1.04 0.00 0.00 0.00 0.00 174.94 175.93 3g1f s ALA 69 N 1.90 3.12 -1.33 9.38 0.00 0.68 -1.85 121.76 133.65 3g1f s ALA 69 Ca 0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 3g1f s ALA 69 Cb -0.17 -3.83 0.11 0.00 0.00 0.00 0.00 23.12 19.23 3g1f s ALA 69 CO 0.11 -2.40 1.90 -3.47 0.00 0.00 0.00 175.76 171.89 3g1f n ASP 70 N 7.76 4.67 -0.46 0.00 -0.08 0.58 -2.14 116.55 126.89 3g1f n ASP 70 Ca 0.06 -2.96 0.12 0.00 -1.51 0.00 0.00 54.79 50.49 3g1f n ASP 70 Cb 0.48 -1.61 0.10 0.00 2.34 0.00 0.00 41.12 42.43 3g1f n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1f n PHE 71 N 5.77 0.00 -4.20 -0.67 0.99 -1.26 -4.25 117.46 113.85 3g1f n PHE 71 Ca 0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.60 3g1f n PHE 71 Cb 0.40 -0.03 -0.07 0.00 -1.00 0.00 0.00 39.48 38.78 3g1f n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1f n LYS 72 N -0.11 -1.53 -1.65 -1.08 5.02 -0.29 -4.73 118.16 113.79 3g1f n LYS 72 Ca 0.10 0.18 -0.54 0.00 -2.02 0.00 0.00 58.31 56.03 3g1f n LYS 72 Cb 0.44 -3.77 -0.06 0.00 -0.02 0.00 0.00 35.03 31.62 3g1f n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1f n VAL 73 N -4.56 0.17 -2.74 -0.18 0.31 -1.08 -4.39 118.33 105.87 3g1f n VAL 73 Ca -0.31 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 3g1f n VAL 73 Cb 0.69 -1.10 0.05 0.00 -0.91 0.00 0.00 33.84 32.57 3g1f n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1f n ALA 74 N 4.09 2.41 -3.78 3.52 0.00 -1.26 -0.03 120.51 125.46 3g1f n ALA 74 Ca 0.22 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 51.10 3g1f n ALA 74 Cb 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3g1f n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1f n ASP 75 N -0.14 1.86 -4.81 0.00 -0.08 -1.26 -4.98 116.55 107.13 3g1f n ASP 75 Ca 0.07 -0.84 -0.30 0.00 -1.51 0.00 0.00 54.79 52.21 3g1f n ASP 75 Cb 0.80 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.33 3g1f n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1f s ILE 76 N -0.76 3.57 0.18 5.18 -4.36 -1.26 -4.73 121.20 119.02 3g1f s ILE 76 Ca 0.00 0.51 -0.19 0.00 -0.26 0.00 0.00 60.65 60.71 3g1f s ILE 76 Cb 0.00 -3.26 0.13 0.00 1.25 0.00 0.00 42.46 40.58 3g1f s ILE 76 CO 0.00 -0.67 1.61 -0.65 0.24 0.00 0.00 174.94 175.47 3g1f h PRO 77 N -0.89 -0.14 -0.41 0.37 0.11 -1.86 -0.44 132.00 128.74 3g1f h PRO 77 Ca -0.45 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3g1f h PRO 77 Cb 1.24 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 3g1f h PRO 77 CO 0.58 -0.09 -0.08 0.93 -0.21 0.00 0.00 178.00 179.13 3g1f h GLU 78 N -0.14 0.02 -0.25 1.05 3.07 -1.95 -1.64 114.58 114.74 3g1f h GLU 78 Ca 0.22 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.91 3g1f h GLU 78 Cb 0.50 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3g1f h GLU 78 CO -0.59 0.01 -0.53 1.15 -1.40 0.00 0.00 179.01 177.65 3g1f h THR 79 N 0.02 1.29 -0.79 1.13 2.02 -1.83 -3.03 112.91 111.73 3g1f h THR 79 Ca 0.20 -1.74 0.06 0.00 0.77 0.00 0.00 66.41 65.69 3g1f h THR 79 Cb 0.30 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 3g1f h THR 79 CO -0.41 0.56 0.52 0.78 0.37 0.00 0.00 175.52 177.34 3g1f h ASN 80 N 0.57 0.77 -0.33 4.18 4.21 -0.68 -1.33 115.58 122.98 3g1f h ASN 80 Ca 0.02 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.44 3g1f h ASN 80 Cb 1.11 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.13 3g1f h ASN 80 CO 0.11 0.51 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.60 3g1f h GLU 81 N 0.88 0.74 -0.36 0.81 4.22 -1.19 -0.76 114.58 118.93 3g1f h GLU 81 Ca 0.33 -0.22 -0.16 0.00 0.08 0.00 0.00 59.36 59.38 3g1f h GLU 81 Cb 0.18 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g1f h GLU 81 CO -0.11 0.80 -0.42 0.87 -2.18 0.00 0.00 179.01 177.97 3g1f h LYS 82 N 0.68 0.91 -0.44 1.92 1.57 -1.20 -0.40 116.57 119.60 3g1f h LYS 82 Ca 0.12 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.31 3g1f h LYS 82 Cb 0.53 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3g1f h LYS 82 CO 0.03 1.15 -0.08 0.82 -0.57 0.00 0.00 179.45 180.80 3g1f h ILE 83 N 0.72 1.27 -0.39 1.86 2.04 -1.14 0.25 117.51 122.11 3g1f h ILE 83 Ca 0.05 -1.18 -0.12 0.00 1.00 0.00 0.00 64.86 64.61 3g1f h ILE 83 Cb 1.02 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3g1f h ILE 83 CO 0.10 0.40 -0.24 0.00 0.00 0.00 0.00 178.15 178.41 3g1f h ARG 85 N 0.67 0.11 -0.14 0.00 2.43 -0.88 0.06 114.38 116.63 3g1f h ARG 85 Ca 0.08 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 3g1f h ARG 85 Cb 0.81 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3g1f h ARG 85 CO 0.07 0.07 -0.42 0.00 -1.51 0.00 0.00 179.97 178.18 3g1f h ALA 86 N 1.15 1.02 -0.16 2.80 0.00 -0.86 -0.54 119.26 122.67 3g1f h ALA 86 Ca 0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3g1f h ALA 86 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g1f h ALA 86 CO -0.13 0.62 -0.62 1.15 0.00 0.00 0.00 179.25 180.26 3g1f h THR 87 N 0.27 1.33 0.05 0.00 2.02 -0.39 -1.09 112.91 115.10 3g1f h THR 87 Ca 0.02 -1.91 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 3g1f h THR 87 Cb 0.86 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3g1f h THR 87 CO 0.07 0.59 -0.03 -0.26 0.37 0.00 0.00 175.52 176.26 3g1f h PHE 88 N 0.41 -0.07 -1.09 3.16 0.04 -0.92 -2.21 116.94 116.26 3g1f h PHE 88 Ca -0.01 -0.00 0.30 0.00 2.80 0.00 0.00 57.97 61.06 3g1f h PHE 88 Cb 1.19 0.02 -0.09 0.00 2.20 0.00 0.00 35.95 39.27 3g1f h PHE 88 CO 0.05 0.54 0.72 -0.22 -0.60 0.00 0.00 178.31 178.80 3g1f h LYS 89 N -0.77 0.28 0.00 1.51 3.64 -1.12 3.61 116.57 123.72 3g1f h LYS 89 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3g1f h LYS 89 Cb 0.63 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3g1f h LYS 89 CO 0.01 0.18 0.00 0.00 -2.27 0.00 0.00 179.45 177.38 3g1f n ALA 90 N -2.53 2.19 -2.38 5.00 0.00 -0.42 -4.83 120.51 117.55 3g1f n ALA 90 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3g1f n ALA 90 Cb 1.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3g1f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1f n GLY 91 N 0.18 0.95 3.82 0.00 0.00 1.19 -3.74 105.19 107.59 3g1f n GLY 91 Ca 0.10 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3g1f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ALA 92 N -2.93 3.75 0.02 4.61 0.00 -0.85 -4.71 121.76 121.65 3g1f s ALA 92 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 3g1f s ALA 92 Cb 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 23.12 20.76 3g1f s ALA 92 CO 0.00 0.43 1.30 -0.44 0.00 0.00 0.00 175.76 177.05 3g1f h ASP 93 N 5.37 0.33 -5.08 0.00 3.32 -1.44 -3.42 116.42 115.50 3g1f h ASP 93 Ca -0.50 -0.52 -0.13 0.00 0.02 0.00 0.00 57.03 55.90 3g1f h ASP 93 Cb 1.21 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.49 3g1f h ASP 93 CO 0.64 0.78 -0.54 0.00 -1.72 0.00 0.00 179.24 178.40 3g1f s ALA 94 N -4.15 -0.05 -0.05 3.45 0.00 -1.13 -2.18 121.76 117.64 3g1f s ALA 94 Ca -0.14 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3g1f s ALA 94 Cb 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 3g1f s ALA 94 CO 0.75 -0.31 -0.18 -1.50 0.00 0.00 0.00 175.76 174.52 3g1f s ILE 95 N -2.52 1.49 -0.31 0.00 2.07 -0.79 -0.23 121.20 120.91 3g1f s ILE 95 Ca -0.06 -0.74 -0.22 0.00 -1.41 0.00 0.00 60.65 58.23 3g1f s ILE 95 Cb -0.02 -1.29 -0.00 0.00 0.13 0.00 0.00 42.46 41.28 3g1f s ILE 95 CO -0.04 0.43 0.70 -0.63 -1.91 0.00 0.00 174.94 173.49 3g1f s ILE 96 N 0.15 4.87 0.21 2.00 1.01 -0.91 -1.20 121.20 127.33 3g1f s ILE 96 Ca -0.07 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.62 3g1f s ILE 96 Cb -0.13 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3g1f s ILE 96 CO 0.03 -0.20 0.17 -0.69 0.00 0.00 0.00 174.94 174.25 3g1f s VAL 97 N 2.77 4.49 -0.06 2.92 1.01 0.26 -1.14 120.40 130.66 3g1f s VAL 97 Ca 0.28 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 3g1f s VAL 97 Cb -0.14 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3g1f s VAL 97 CO 0.12 -0.23 0.45 -1.00 0.00 0.00 0.00 175.10 174.45 3g1f s HIS 98 N -1.94 3.61 -0.18 5.22 3.76 0.96 -1.13 115.29 125.59 3g1f s HIS 98 Ca 0.32 0.95 0.18 0.00 -0.15 0.00 0.00 55.06 56.36 3g1f s HIS 98 Cb -0.09 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 3g1f s HIS 98 CO 0.24 0.37 1.04 0.78 -0.85 0.00 0.00 174.74 176.32 3g1f h GLY 99 N 5.85 0.00 -0.09 -2.22 0.00 -1.87 -3.38 103.07 101.37 3g1f h GLY 99 Ca -0.45 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.06 3g1f h GLY 99 CO 0.70 0.00 0.32 -2.75 0.00 0.00 0.00 176.54 174.81 3g1f h PHE 100 N 0.00 0.53 0.00 5.60 3.57 -1.93 -0.48 116.94 124.23 3g1f h PHE 100 Ca -0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3g1f h PHE 100 Cb 1.36 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3g1f h PHE 100 CO 0.00 -0.03 0.00 -2.30 -2.23 0.00 0.00 178.31 173.75 3g1f n PRO 101 N -5.06 0.35 0.00 6.41 -0.02 -1.26 -4.96 135.00 130.46 3g1f n PRO 101 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3g1f n PRO 101 Cb 0.55 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3g1f n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1f n GLY 102 N -0.27 0.91 0.11 -1.23 0.00 -0.19 -4.59 105.19 99.93 3g1f n GLY 102 Ca 0.06 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 3g1f n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 103 N 0.00 0.03 -0.87 4.61 0.00 -1.93 -3.13 119.26 117.96 3g1f h ALA 103 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.43 3g1f h ALA 103 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3g1f h ALA 103 CO 0.00 0.20 0.57 0.38 0.00 0.00 0.00 179.25 180.40 3g1f h ASP 104 N -0.39 0.90 0.10 0.00 2.03 -1.99 0.11 116.42 117.17 3g1f h ASP 104 Ca -0.06 -0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.14 3g1f h ASP 104 Cb 1.18 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 3g1f h ASP 104 CO 0.08 0.60 -0.35 0.28 -1.03 0.00 0.00 179.24 178.82 3g1f h SER 105 N 1.03 0.37 0.01 4.15 0.02 -1.81 -2.61 113.55 114.71 3g1f h SER 105 Ca 0.36 -0.14 -0.26 0.00 -0.84 0.00 0.00 61.79 60.91 3g1f h SER 105 Cb 0.12 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.58 3g1f h SER 105 CO -0.12 0.70 -1.02 0.58 -1.14 0.00 0.00 176.83 175.83 3g1f h VAL 106 N 0.31 1.29 -0.68 2.27 2.07 -1.28 -3.29 116.25 116.94 3g1f h VAL 106 Ca 0.04 -2.24 0.09 0.00 0.82 0.00 0.00 66.70 65.40 3g1f h VAL 106 Cb 0.77 2.41 -0.07 0.00 -1.52 0.00 0.00 31.29 32.89 3g1f h VAL 106 CO 0.06 0.69 0.33 -0.09 0.02 0.00 0.00 177.57 178.58 3g1f h ARG 107 N 0.35 0.56 -0.64 1.57 9.65 -0.67 0.79 114.38 125.99 3g1f h ARG 107 Ca -0.13 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.76 3g1f h ARG 107 Cb 1.67 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 30.09 3g1f h ARG 107 CO 0.20 0.37 0.42 0.00 2.80 0.00 0.00 179.97 183.76 3g1f h ALA 108 N 1.41 1.67 0.00 2.80 0.00 -1.55 0.41 119.26 124.00 3g1f h ALA 108 Ca 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3g1f h ALA 108 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3g1f h ALA 108 CO -0.26 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 179.03 3g1f h LEU 110 N 0.00 0.56 -0.31 0.00 3.38 0.25 -2.82 115.31 116.38 3g1f h LEU 110 Ca -0.00 -0.78 0.05 0.00 0.09 0.00 0.00 57.88 57.24 3g1f h LEU 110 Cb 0.72 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3g1f h LEU 110 CO 0.03 1.65 0.03 0.78 0.09 0.00 0.00 178.44 181.02 3g1f h ASN 111 N 0.10 -0.06 0.12 -0.43 2.35 -0.17 0.14 115.58 117.63 3g1f h ASN 111 Ca -0.29 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3g1f h ASN 111 Cb 2.08 0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.55 3g1f h ASN 111 CO 0.19 0.00 -0.06 0.58 -1.65 0.00 0.00 177.43 176.49 3g1f h VAL 112 N 0.13 0.98 -0.94 2.81 2.07 -1.60 0.53 116.25 120.23 3g1f h VAL 112 Ca 0.15 -0.39 0.16 0.00 0.82 0.00 0.00 66.70 67.45 3g1f h VAL 112 Cb 0.18 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3g1f h VAL 112 CO -0.22 0.09 0.60 0.00 0.02 0.00 0.00 177.57 178.06 3g1f h ALA 113 N 0.52 1.82 0.11 1.67 0.00 -1.19 0.75 119.26 122.95 3g1f h ALA 113 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g1f h ALA 113 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3g1f h ALA 113 CO 0.03 -0.11 -0.05 1.49 0.00 0.00 0.00 179.25 180.61 3g1f h GLU 114 N 0.70 -0.14 -0.30 0.00 4.57 -0.49 0.79 114.58 119.71 3g1f h GLU 114 Ca 0.49 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.77 3g1f h GLU 114 Cb 0.82 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3g1f h GLU 114 CO -0.25 0.34 0.44 1.49 -1.18 0.00 0.00 179.01 179.86 3g1f h GLU 115 N -0.73 0.00 -0.00 1.92 4.81 0.26 -0.48 114.58 120.35 3g1f h GLU 115 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3g1f h GLU 115 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3g1f h GLU 115 CO 0.02 0.00 -0.05 -1.33 -0.73 0.00 0.00 179.01 176.92 3g1f n MET 116 N -3.45 1.26 -3.23 1.92 2.81 0.15 -5.01 117.12 111.58 3g1f n MET 116 Ca 0.05 -0.56 -0.15 0.00 -1.81 0.00 0.00 57.70 55.23 3g1f n MET 116 Cb 0.58 -0.98 0.07 0.00 -0.71 0.00 0.00 33.22 32.19 3g1f n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1f n GLY 117 N 0.48 -0.22 3.46 3.03 0.00 0.14 -5.03 105.19 107.04 3g1f n GLY 117 Ca 0.02 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3g1f n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1f s ARG 118 N -5.38 1.62 0.20 1.61 1.81 0.23 -5.01 118.95 114.03 3g1f s ARG 118 Ca 0.14 -1.83 0.04 0.00 -1.72 0.00 0.00 55.73 52.36 3g1f s ARG 118 Cb -0.06 -1.26 -0.03 0.00 -0.45 0.00 0.00 34.95 33.14 3g1f s ARG 118 CO 0.59 0.05 0.33 -1.21 -0.68 0.00 0.00 175.30 174.38 3g1f s GLU 119 N -3.71 3.44 -0.06 3.54 2.02 -0.93 -4.34 118.70 118.67 3g1f s GLU 119 Ca 0.31 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.66 3g1f s GLU 119 Cb 0.04 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3g1f s GLU 119 CO 0.13 0.47 -0.17 0.08 0.02 0.00 0.00 175.26 175.79 3g1f s VAL 120 N -1.88 1.43 -0.14 2.63 1.01 -1.26 -1.89 120.40 120.29 3g1f s VAL 120 Ca 0.34 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3g1f s VAL 120 Cb -0.10 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3g1f s VAL 120 CO 0.29 0.42 -0.10 -0.36 0.00 0.00 0.00 175.10 175.34 3g1f s PHE 121 N 0.26 2.87 -0.23 5.22 0.40 -0.34 -4.03 117.98 122.13 3g1f s PHE 121 Ca -0.09 -0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 55.55 3g1f s PHE 121 Cb -0.14 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 3g1f s PHE 121 CO 0.04 -0.21 0.10 -1.17 0.70 0.00 0.00 175.22 174.67 3g1f s LEU 122 N 0.47 3.80 -0.32 -0.37 2.96 -0.84 0.93 118.68 125.30 3g1f s LEU 122 Ca -0.08 -0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.57 3g1f s LEU 122 Cb -0.15 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.54 3g1f s LEU 122 CO 0.04 0.06 0.92 -0.22 -1.32 0.00 0.00 176.35 175.83 3g1f s LEU 123 N 1.06 4.02 -0.21 -0.68 2.96 -0.28 -1.56 118.68 123.98 3g1f s LEU 123 Ca 0.05 0.78 -0.19 0.00 -0.22 0.00 0.00 54.13 54.56 3g1f s LEU 123 Cb -0.14 -3.28 -0.19 0.00 0.50 0.00 0.00 46.19 43.09 3g1f s LEU 123 CO 0.04 -0.76 0.13 0.35 -1.32 0.00 0.00 176.35 174.79 3g1f n THR 124 N 5.74 1.56 -4.03 3.68 -2.24 -1.05 -3.51 114.28 114.43 3g1f n THR 124 Ca 0.07 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3g1f n THR 124 Cb 0.48 -1.98 -0.16 0.00 -2.10 0.00 0.00 70.33 66.57 3g1f n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g1f s GLU 125 N -2.41 0.52 0.93 -0.78 2.12 -1.25 -4.53 118.70 113.29 3g1f s GLU 125 Ca -0.30 -0.00 -0.13 0.00 0.36 0.00 0.00 54.97 54.90 3g1f s GLU 125 Cb 0.07 -0.62 0.15 0.00 0.26 0.00 0.00 34.13 33.99 3g1f s GLU 125 CO 0.59 -0.11 1.16 -1.64 -0.54 0.00 0.00 175.26 174.73 3g1f s MET 126 N 0.96 1.02 -0.18 4.30 -1.94 -1.26 -3.35 119.30 118.84 3g1f s MET 126 Ca -0.11 0.15 0.16 0.00 -1.71 0.00 0.00 55.69 54.18 3g1f s MET 126 Cb -0.14 -1.84 -0.24 0.00 2.01 0.00 0.00 34.83 34.62 3g1f s MET 126 CO -0.01 -2.25 0.14 -1.13 -0.01 0.00 0.00 175.02 171.75 3g1f n SER 127 N -3.78 0.30 -3.68 3.03 3.41 -1.26 -4.55 113.62 107.09 3g1f n SER 127 Ca 0.08 0.05 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 3g1f n SER 127 Cb 0.60 0.72 0.25 0.00 -0.26 0.00 0.00 64.21 65.51 3g1f n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1f s HIS 128 N -2.51 0.19 0.07 7.33 -3.43 -1.26 -4.81 115.29 110.87 3g1f s HIS 128 Ca -0.11 0.46 -0.19 0.00 -0.80 0.00 0.00 55.06 54.41 3g1f s HIS 128 Cb 0.07 -3.41 -0.11 0.00 -1.43 0.00 0.00 32.58 27.70 3g1f s HIS 128 CO 0.81 -4.11 1.45 -1.00 -2.00 0.00 0.00 174.74 169.90 3g1f h PRO 129 N -2.75 0.40 0.00 -0.38 0.13 -2.00 -3.15 132.00 124.25 3g1f h PRO 129 Ca -0.44 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3g1f h PRO 129 Cb 1.29 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3g1f h PRO 129 CO 0.31 0.66 0.08 0.41 -0.23 0.00 0.00 178.00 179.22 3g1f n GLY 130 N -0.12 -0.47 0.06 1.56 0.00 -1.26 -1.63 105.19 103.34 3g1f n GLY 130 Ca -0.05 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3g1f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f n ALA 131 N -1.46 1.66 0.21 4.61 0.00 -1.19 -2.35 120.51 121.98 3g1f n ALA 131 Ca -0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3g1f n ALA 131 Cb 0.08 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 18.33 3g1f n ALA 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g1f h GLU 132 N 0.00 0.00 -0.13 0.00 5.08 -1.55 0.29 114.58 118.28 3g1f h GLU 132 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3g1f h GLU 132 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3g1f h GLU 132 CO 0.00 0.00 -0.03 0.52 -1.00 0.00 0.00 179.01 178.50 3g1f h MET 133 N 0.00 0.24 0.00 2.33 2.86 -1.68 -3.42 114.93 115.26 3g1f h MET 133 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3g1f h MET 133 Cb 0.98 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3g1f h MET 133 CO 0.00 0.53 -0.28 1.19 1.06 0.00 0.00 176.91 179.41 3g1f n PHE 134 N -4.74 -0.57 -0.19 -0.22 0.99 -1.26 -4.83 117.46 106.64 3g1f n PHE 134 Ca -0.06 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 3g1f n PHE 134 Cb 0.24 0.29 0.09 0.00 -1.00 0.00 0.00 39.48 39.11 3g1f n PHE 134 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3g1f h ILE 135 N 0.00 0.53 -0.83 4.37 2.04 -1.86 -2.43 117.51 119.34 3g1f h ILE 135 Ca 0.00 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3g1f h ILE 135 Cb 0.28 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 3g1f h ILE 135 CO 0.00 0.02 -0.49 1.67 0.00 0.00 0.00 178.15 179.35 3g1f n GLN 136 N -5.26 -0.36 -0.01 2.37 -0.06 0.10 -1.40 117.38 112.76 3g1f n GLN 136 Ca 0.08 1.26 -0.15 0.00 -2.00 0.00 0.00 57.00 56.19 3g1f n GLN 136 Cb 0.33 -1.85 -0.09 0.00 -4.06 0.00 0.00 30.24 24.57 3g1f n GLN 136 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 3g1f h GLY 137 N 0.00 -1.03 0.81 1.69 0.00 -1.70 -2.12 103.07 100.73 3g1f h GLY 137 Ca 0.13 0.66 0.00 0.00 0.00 0.00 0.00 47.33 48.12 3g1f h GLY 137 CO -0.78 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 175.56 3g1f n ALA 138 N -3.00 2.50 -0.17 3.60 0.00 -0.85 -4.36 120.51 118.23 3g1f n ALA 138 Ca -0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 3g1f n ALA 138 Cb 0.38 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 3g1f n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1f h ALA 139 N 3.55 -0.24 -0.49 0.00 0.00 -0.51 0.77 119.26 122.34 3g1f h ALA 139 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3g1f h ALA 139 Cb 0.00 1.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3g1f h ALA 139 CO 0.00 -0.42 0.16 -0.44 0.00 0.00 0.00 179.25 178.55 3g1f h ASP 140 N -0.01 0.15 -0.19 0.00 3.32 -1.81 -1.98 116.42 115.91 3g1f h ASP 140 Ca 0.07 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3g1f h ASP 140 Cb 0.18 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3g1f h ASP 140 CO -0.39 0.11 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.71 3g1f h GLU 141 N 0.33 -0.22 -0.34 3.56 5.08 -1.61 -1.74 114.58 119.64 3g1f h GLU 141 Ca 0.24 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 3g1f h GLU 141 Cb 0.26 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 3g1f h GLU 141 CO -0.25 -0.14 -0.43 0.82 -1.00 0.00 0.00 179.01 178.00 3g1f h ILE 142 N -0.23 0.11 -0.28 3.13 2.04 -0.25 0.44 117.51 122.48 3g1f h ILE 142 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3g1f h ILE 142 Cb 0.40 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 3g1f h ILE 142 CO -0.32 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.51 3g1f h ALA 143 N 0.32 -0.25 -1.00 1.87 0.00 -0.74 0.99 119.26 120.45 3g1f h ALA 143 Ca 0.12 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.22 3g1f h ALA 143 Cb 0.59 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3g1f h ALA 143 CO -0.53 -0.75 0.63 0.00 0.00 0.00 0.00 179.25 178.60 3g1f h ARG 144 N -0.31 0.96 -0.41 0.00 3.08 -0.62 0.27 114.38 117.36 3g1f h ARG 144 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3g1f h ARG 144 Cb 0.53 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3g1f h ARG 144 CO -0.45 0.64 0.22 1.98 -1.07 0.00 0.00 179.97 181.29 3g1f h MET 145 N 0.99 0.55 -0.13 0.04 4.05 0.13 0.66 114.93 121.23 3g1f h MET 145 Ca 0.50 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.80 3g1f h MET 145 Cb 0.49 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 3g1f h MET 145 CO -0.26 0.41 -0.17 0.78 0.23 0.00 0.00 176.91 177.90 3g1f h GLY 146 N 0.64 0.37 0.81 1.39 0.00 0.16 -0.07 103.07 106.36 3g1f h GLY 146 Ca 0.15 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.09 3g1f h GLY 146 CO -0.02 0.37 0.01 -2.08 0.00 0.00 0.00 176.54 174.81 3g1f h VAL 147 N -0.06 0.91 -1.00 4.60 2.07 -0.19 0.90 116.25 123.48 3g1f h VAL 147 Ca 0.01 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3g1f h VAL 147 Cb 0.73 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3g1f h VAL 147 CO 0.04 0.01 0.66 0.44 0.02 0.00 0.00 177.57 178.74 3g1f h ASP 148 N 0.05 1.12 1.52 0.57 3.32 0.35 -0.94 116.42 122.42 3g1f h ASP 148 Ca 0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3g1f h ASP 148 Cb 0.07 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3g1f h ASP 148 CO -0.10 0.79 0.00 -0.07 -1.72 0.00 0.00 179.24 178.14 3g1f h LEU 149 N 1.31 0.00 0.00 1.55 3.38 -0.31 -3.47 115.31 117.77 3g1f h LEU 149 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3g1f h LEU 149 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3g1f h LEU 149 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 3g1f n GLY 150 N 1.12 1.45 3.71 0.83 0.00 0.25 -5.06 105.19 107.49 3g1f n GLY 150 Ca 0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3g1f n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1f s VAL 151 N -2.00 4.47 -1.76 1.61 1.01 0.23 -4.92 120.40 119.04 3g1f s VAL 151 Ca 0.00 1.78 0.16 0.00 0.00 0.00 0.00 61.98 63.93 3g1f s VAL 151 Cb 0.00 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.30 3g1f s VAL 151 CO 0.00 0.14 0.93 0.29 0.00 0.00 0.00 175.10 176.47 3g1f n LYS 152 N 3.87 1.53 -4.84 2.72 5.02 -1.26 -4.54 118.16 120.66 3g1f n LYS 152 Ca 0.07 -1.12 -0.27 0.00 -2.02 0.00 0.00 58.31 54.97 3g1f n LYS 152 Cb 0.49 -1.29 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 3g1f n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1f s ASN 153 N -1.67 2.22 0.19 4.39 0.01 -1.26 0.90 114.94 119.74 3g1f s ASN 153 Ca 0.16 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.95 3g1f s ASN 153 Cb 0.13 -0.78 -0.05 0.00 0.41 0.00 0.00 41.25 40.97 3g1f s ASN 153 CO 0.31 0.13 0.04 -0.31 -1.51 0.00 0.00 177.10 175.77 3g1f s TYR 154 N 0.23 1.26 -0.09 2.20 1.51 0.26 -2.00 117.35 120.72 3g1f s TYR 154 Ca -0.09 -1.12 -0.01 0.00 -1.01 0.00 0.00 57.07 54.84 3g1f s TYR 154 Cb -0.14 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3g1f s TYR 154 CO 0.04 -0.31 -0.00 0.08 -1.11 0.00 0.00 175.55 174.24 3g1f s VAL 155 N -3.77 0.46 0.18 0.71 1.01 -0.60 -1.55 120.40 116.83 3g1f s VAL 155 Ca 0.29 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.32 3g1f s VAL 155 Cb 0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 3g1f s VAL 155 CO 0.07 0.20 -0.13 -0.83 0.00 0.00 0.00 175.10 174.42 3g1f s GLY 156 N 1.93 1.28 0.46 4.51 0.00 -0.53 -2.53 107.32 112.44 3g1f s GLY 156 Ca 0.04 -1.59 -0.23 0.00 0.00 0.00 0.00 44.72 42.94 3g1f s GLY 156 CO -0.06 -1.69 1.19 2.56 0.00 0.00 0.00 173.10 175.10 3g1f s PRO 157 N -3.67 3.73 -0.07 2.90 0.04 -1.21 -3.20 135.00 133.52 3g1f s PRO 157 Ca 0.20 1.83 0.19 0.00 0.04 0.00 0.00 61.00 63.27 3g1f s PRO 157 Cb 0.01 -2.42 -0.24 0.00 0.04 0.00 0.00 34.50 31.88 3g1f s PRO 157 CO 0.04 -0.60 0.43 0.43 0.04 0.00 0.00 177.00 177.34 3g1f n SER 158 N -0.48 0.25 0.00 6.66 7.64 -0.90 -4.01 113.62 122.78 3g1f n SER 158 Ca 0.07 0.11 0.05 0.00 1.01 0.00 0.00 58.87 60.11 3g1f n SER 158 Cb 0.47 1.10 0.22 0.00 -1.01 0.00 0.00 64.21 65.00 3g1f n SER 158 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3g1f n THR 159 N -2.62 1.25 -3.61 0.44 -2.24 -1.26 -3.81 114.28 102.43 3g1f n THR 159 Ca -0.16 0.31 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 3g1f n THR 159 Cb 0.86 -1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 67.85 3g1f n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3g1f s ARG 160 N -2.98 1.51 0.19 -0.78 0.52 -1.26 -4.92 118.95 111.23 3g1f s ARG 160 Ca 0.05 -2.54 -0.12 0.00 -0.52 0.00 0.00 55.73 52.60 3g1f s ARG 160 Cb 0.07 -2.23 0.20 0.00 0.52 0.00 0.00 34.95 33.50 3g1f s ARG 160 CO 0.19 -1.33 1.75 -1.35 0.02 0.00 0.00 175.30 174.58 3g1f h PRO 161 N 5.67 0.38 -0.42 3.54 0.11 -1.82 0.93 132.00 140.39 3g1f h PRO 161 Ca 0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3g1f h PRO 161 Cb 0.85 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3g1f h PRO 161 CO 0.51 0.25 0.22 1.05 -0.21 0.00 0.00 178.00 179.81 3g1f h GLU 162 N 0.39 0.60 -0.19 1.05 9.09 -1.94 -2.16 114.58 121.42 3g1f h GLU 162 Ca 0.26 -0.08 -0.05 0.00 0.05 0.00 0.00 59.36 59.54 3g1f h GLU 162 Cb 0.27 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 3g1f h GLU 162 CO -0.25 0.50 -0.11 0.00 0.05 0.00 0.00 179.01 179.20 3g1f h ARG 163 N 0.54 0.29 0.28 1.06 2.47 -1.78 -2.96 114.38 114.27 3g1f h ARG 163 Ca 0.15 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 3g1f h ARG 163 Cb 0.09 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3g1f h ARG 163 CO -0.02 0.41 -0.13 1.25 0.56 0.00 0.00 179.97 182.04 3g1f h LEU 164 N 0.28 -0.32 -1.22 3.04 5.85 -0.34 -3.01 115.31 119.59 3g1f h LEU 164 Ca 0.06 -0.13 0.24 0.00 0.84 0.00 0.00 57.88 58.89 3g1f h LEU 164 Cb 0.37 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 3g1f h LEU 164 CO 0.02 -0.04 0.64 -1.28 -0.34 0.00 0.00 178.44 177.43 3g1f h SER 165 N -0.59 0.56 0.04 1.25 0.87 -1.25 -1.11 113.55 113.31 3g1f h SER 165 Ca -0.04 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3g1f h SER 165 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3g1f h SER 165 CO 0.06 0.13 -0.02 -0.09 -0.53 0.00 0.00 176.83 176.38 3g1f h ARG 166 N 0.51 -0.05 -0.93 2.24 9.65 -1.41 0.11 114.38 124.50 3g1f h ARG 166 Ca 0.60 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.50 3g1f h ARG 166 Cb 1.31 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.85 3g1f h ARG 166 CO -0.35 0.14 0.61 -0.07 2.80 0.00 0.00 179.97 183.11 3g1f h LEU 167 N -0.23 1.05 0.35 3.80 3.38 -1.18 0.16 115.31 122.63 3g1f h LEU 167 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3g1f h LEU 167 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3g1f h LEU 167 CO 0.01 0.75 -0.35 -0.09 0.09 0.00 0.00 178.44 178.85 3g1f h ARG 168 N 1.24 -0.70 -0.74 1.13 9.65 -0.96 0.57 114.38 124.57 3g1f h ARG 168 Ca 0.35 0.05 0.17 0.00 -1.10 0.00 0.00 59.98 59.44 3g1f h ARG 168 Cb -0.11 0.16 -0.12 0.00 -1.39 0.00 0.00 29.97 28.51 3g1f h ARG 168 CO -0.09 -0.47 0.08 1.49 2.80 0.00 0.00 179.97 183.79 3g1f h GLU 169 N -0.73 0.16 0.64 0.20 4.81 0.23 0.25 114.58 120.14 3g1f h GLU 169 Ca -0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3g1f h GLU 169 Cb 0.66 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3g1f h GLU 169 CO -0.06 0.11 -0.31 0.82 -0.73 0.00 0.00 179.01 178.84 3g1f h ILE 170 N 0.17 0.00 -0.06 2.32 2.04 0.07 -3.20 117.51 118.84 3g1f h ILE 170 Ca 0.41 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3g1f h ILE 170 Cb 0.72 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3g1f h ILE 170 CO -0.59 0.00 0.06 0.16 0.00 0.00 0.00 178.15 177.78 3g1f h ILE 171 N -1.16 0.52 0.00 -0.67 -0.00 0.44 -3.48 117.51 113.15 3g1f h ILE 171 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 3g1f h ILE 171 Cb 0.65 0.95 0.00 0.00 -0.00 0.00 0.00 36.82 38.42 3g1f h ILE 171 CO 0.14 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.90 3g1f n GLY 172 N -1.35 0.28 0.00 0.16 0.00 0.85 -4.55 105.19 100.58 3g1f n GLY 172 Ca -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3g1f n GLY 172 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g1f n GLN 173 N 0.00 2.64 -0.00 1.61 1.13 -1.26 -4.45 117.38 117.04 3g1f n GLN 173 Ca 0.00 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.20 3g1f n GLN 173 Cb 0.00 -0.73 0.59 0.00 0.11 0.00 0.00 30.24 30.21 3g1f n GLN 173 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3g1f n ASP 174 N -0.90 1.26 -4.88 1.08 5.75 -1.26 -4.88 116.55 112.72 3g1f n ASP 174 Ca 0.00 -1.43 -0.34 0.00 -0.01 0.00 0.00 54.79 53.01 3g1f n ASP 174 Cb 0.10 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 3g1f n ASP 174 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3g1f s SER 175 N -1.98 6.55 0.15 -1.12 0.01 -1.26 -5.06 113.70 110.98 3g1f s SER 175 Ca 0.39 0.64 -0.21 0.00 1.31 0.00 0.00 55.95 58.09 3g1f s SER 175 Cb 0.21 -2.12 -0.08 0.00 0.21 0.00 0.00 66.02 64.25 3g1f s SER 175 CO 0.34 0.18 0.68 0.12 0.41 0.00 0.00 173.24 174.97 3g1f s PHE 176 N -1.41 3.78 -0.07 2.43 5.36 0.26 -4.98 117.98 123.35 3g1f s PHE 176 Ca 0.32 1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 57.66 3g1f s PHE 176 Cb -0.13 -2.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.98 3g1f s PHE 176 CO 0.19 0.48 0.16 -1.17 -1.46 0.00 0.00 175.22 173.42 3g1f s LEU 177 N -1.44 0.78 0.04 6.12 2.96 -1.26 -0.57 118.68 125.30 3g1f s LEU 177 Ca 0.36 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.67 3g1f s LEU 177 Cb -0.19 0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.90 3g1f s LEU 177 CO 0.22 -0.14 -0.22 0.27 -1.32 0.00 0.00 176.35 175.16 3g1f s ILE 178 N 1.04 1.80 -0.13 6.68 -4.36 -0.60 -0.33 121.20 125.30 3g1f s ILE 178 Ca -0.08 -1.21 -0.00 0.00 -0.26 0.00 0.00 60.65 59.10 3g1f s ILE 178 Cb -0.10 -1.55 0.03 0.00 1.25 0.00 0.00 42.46 42.09 3g1f s ILE 178 CO -0.05 0.29 -0.10 -0.55 0.24 0.00 0.00 174.94 174.76 3g1f s SER 179 N -1.10 2.45 0.89 4.36 0.15 -0.45 -1.45 113.70 118.56 3g1f s SER 179 Ca 0.09 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 3g1f s SER 179 Cb -0.09 -0.98 0.19 0.00 -1.71 0.00 0.00 66.02 63.43 3g1f s SER 179 CO 0.01 -0.10 1.20 -0.81 1.20 0.00 0.00 173.24 174.74 3g1f n PRO 180 N 4.87 -0.80 -0.74 5.44 -0.04 -1.19 -1.35 135.00 141.19 3g1f n PRO 180 Ca -0.14 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 3g1f n PRO 180 Cb 0.50 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3g1f n PRO 180 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g1f n GLY 181 N -3.33 0.58 3.80 0.55 0.00 -1.26 -2.12 105.19 103.41 3g1f n GLY 181 Ca 0.17 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 3g1f n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1f s VAL 182 N -2.00 5.09 0.00 1.61 1.01 -1.24 -0.53 120.40 124.34 3g1f s VAL 182 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3g1f s VAL 182 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3g1f s VAL 182 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3g1f n GLY 183 N 2.31 1.72 0.36 4.51 0.00 -0.25 -4.39 105.19 109.46 3g1f n GLY 183 Ca -0.12 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.69 3g1f n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 184 N 0.00 1.64 -0.06 4.61 0.00 -1.89 -1.78 119.26 121.79 3g1f h ALA 184 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g1f h ALA 184 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3g1f h ALA 184 CO 0.00 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.34 3g1f n GLN 185 N -4.67 1.60 0.00 0.00 6.02 -1.26 -4.96 117.38 114.12 3g1f n GLN 185 Ca 0.21 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 3g1f n GLN 185 Cb 0.47 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3g1f n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g1f n GLY 186 N 1.13 3.08 3.63 1.08 0.00 -0.67 -4.85 105.19 108.60 3g1f n GLY 186 Ca 0.18 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 3g1f n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g1f n GLY 187 N 0.00 0.06 3.56 -0.02 0.00 0.31 -4.63 105.19 104.47 3g1f n GLY 187 Ca 0.00 0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 3g1f n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g1f s ASP 188 N -0.47 5.70 0.00 1.61 2.15 -1.26 -1.09 116.67 123.30 3g1f s ASP 188 Ca 0.57 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.51 3g1f s ASP 188 Cb -0.64 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3g1f s ASP 188 CO 0.61 0.00 0.84 -0.81 -0.17 0.00 0.00 175.17 175.64 3g1f n PRO 189 N 4.70 0.00 -0.31 4.34 -0.04 -1.26 -0.94 135.00 141.49 3g1f n PRO 189 Ca -0.15 0.79 -0.02 0.00 -0.04 0.00 0.00 63.50 64.08 3g1f n PRO 189 Cb 0.52 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.68 3g1f n PRO 189 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3g1f h GLY 190 N 0.00 0.10 0.37 0.55 0.00 -1.94 0.61 103.07 102.76 3g1f h GLY 190 Ca 0.00 0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.85 3g1f h GLY 190 CO 0.00 -0.22 -0.08 -2.09 0.00 0.00 0.00 176.54 174.14 3g1f h GLU 191 N -0.06 -0.01 -0.70 4.80 4.57 -1.87 -2.72 114.58 118.60 3g1f h GLU 191 Ca 0.32 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.44 3g1f h GLU 191 Cb 0.59 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3g1f h GLU 191 CO -0.87 -0.01 0.21 1.15 -1.18 0.00 0.00 179.01 178.31 3g1f h THR 192 N -0.01 1.26 0.00 0.32 2.02 0.85 -2.85 112.91 114.50 3g1f h THR 192 Ca 0.15 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3g1f h THR 192 Cb 0.24 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3g1f h THR 192 CO -0.32 0.35 0.00 0.18 0.37 0.00 0.00 175.52 176.10 3g1f n LEU 193 N -4.29 0.00 0.18 2.58 4.77 0.01 -1.59 117.00 118.66 3g1f n LEU 193 Ca 0.05 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.47 3g1f n LEU 193 Cb 0.23 -0.40 0.33 0.00 -2.33 0.00 0.00 43.42 41.25 3g1f n LEU 193 CO 0.41 -0.32 0.66 0.03 -1.33 0.00 0.00 177.39 176.84 3g1f h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -1.46 -3.36 114.38 115.87 3g1f h ARG 194 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3g1f h ARG 194 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3g1f h ARG 194 CO 0.00 0.42 -1.59 1.19 -1.07 0.00 0.00 179.97 178.92 3g1f n PHE 195 N -3.70 0.00 -3.37 3.04 0.99 -0.74 -5.04 117.46 108.64 3g1f n PHE 195 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.14 3g1f n PHE 195 Cb 0.50 -0.39 -0.04 0.00 -1.00 0.00 0.00 39.48 38.55 3g1f n PHE 195 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3g1f s ALA 196 N -2.20 3.61 0.13 4.37 0.00 -0.62 -4.96 121.76 122.09 3g1f s ALA 196 Ca -0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 3g1f s ALA 196 Cb 0.04 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 3g1f s ALA 196 CO 0.22 0.35 1.48 -0.44 0.00 0.00 0.00 175.76 177.37 3g1f h ASP 197 N 2.03 0.91 -4.71 0.00 3.32 -0.96 -3.39 116.42 113.61 3g1f h ASP 197 Ca -0.47 -0.44 -0.11 0.00 0.02 0.00 0.00 57.03 56.02 3g1f h ASP 197 Cb 1.18 -0.25 -0.21 0.00 0.22 0.00 0.00 39.33 40.27 3g1f h ASP 197 CO 0.68 1.16 -0.23 0.00 -1.72 0.00 0.00 179.24 179.13 3g1f s ALA 198 N -4.48 -0.92 0.23 3.45 0.00 -1.08 -4.82 121.76 114.14 3g1f s ALA 198 Ca -0.12 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.49 3g1f s ALA 198 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3g1f s ALA 198 CO 0.86 -0.25 0.38 0.96 0.00 0.00 0.00 175.76 177.70 3g1f s ILE 199 N -0.94 5.25 -0.11 0.00 -4.36 -0.46 -1.34 121.20 119.25 3g1f s ILE 199 Ca -0.10 -0.79 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 3g1f s ILE 199 Cb -0.04 -3.82 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 3g1f s ILE 199 CO 0.04 -0.30 -0.19 -0.63 0.24 0.00 0.00 174.94 174.10 3g1f s ILE 200 N -1.97 2.52 -0.01 8.37 1.01 -0.45 -0.67 121.20 130.00 3g1f s ILE 200 Ca 0.35 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.19 3g1f s ILE 200 Cb -0.10 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3g1f s ILE 200 CO 0.30 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.95 3g1f s VAL 201 N 0.24 1.19 0.00 2.92 1.01 -0.81 -3.67 120.40 121.28 3g1f s VAL 201 Ca -0.13 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3g1f s VAL 201 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3g1f s VAL 201 CO 0.07 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3g1f n GLY 202 N 2.64 0.80 0.26 4.51 0.00 -1.26 -1.15 105.19 110.99 3g1f n GLY 202 Ca -0.15 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.00 3g1f n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1f h ARG 203 N 0.00 0.00 0.00 1.61 3.08 -1.93 0.22 114.38 117.37 3g1f h ARG 203 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g1f h ARG 203 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3g1f h ARG 203 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 3g1f n SER 204 N -2.65 0.03 0.00 7.04 7.64 -1.26 -3.41 113.62 121.01 3g1f n SER 204 Ca -0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.37 3g1f n SER 204 Cb 0.16 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3g1f n SER 204 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g1f n ILE 205 N -1.53 0.00 0.71 0.44 5.41 0.59 -4.51 119.36 120.47 3g1f n ILE 205 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.81 3g1f n ILE 205 Cb 0.25 -0.90 0.07 0.00 -0.71 0.00 0.00 39.64 38.35 3g1f n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1f n TYR 206 N -2.63 0.33 -0.77 1.39 0.18 -0.10 -3.02 117.16 112.54 3g1f n TYR 206 Ca 0.00 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.66 3g1f n TYR 206 Cb 0.40 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.20 3g1f n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3g1f n LEU 207 N 0.10 0.00 -4.74 -3.48 4.77 -1.22 -4.96 117.00 107.47 3g1f n LEU 207 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 3g1f n LEU 207 Cb 0.40 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.60 3g1f n LEU 207 CO 0.05 0.03 0.69 0.00 -1.33 0.00 0.00 177.39 176.84 3g1f s ALA 208 N 0.00 2.02 0.48 -1.18 0.00 -1.17 -4.92 121.76 116.99 3g1f s ALA 208 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 51.96 52.36 3g1f s ALA 208 Cb 0.00 -3.29 1.11 0.00 0.00 0.00 0.00 23.12 20.94 3g1f s ALA 208 CO 0.00 -2.01 2.11 -0.44 0.00 0.00 0.00 175.76 175.41 3g1f h ASP 209 N -1.31 0.16 -3.24 0.00 5.19 -1.95 -3.39 116.42 111.90 3g1f h ASP 209 Ca -0.44 -0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.48 3g1f h ASP 209 Cb 1.24 -0.04 -0.38 0.00 0.18 0.00 0.00 39.33 40.33 3g1f h ASP 209 CO 0.50 0.13 -0.78 0.21 -3.12 0.00 0.00 179.24 176.18 3g1f s ASN 210 N -6.93 1.98 0.02 6.45 3.84 -1.26 -5.07 114.94 113.97 3g1f s ASN 210 Ca -0.06 -0.26 -0.18 0.00 0.21 0.00 0.00 52.86 52.58 3g1f s ASN 210 Cb 0.17 -0.62 -0.10 0.00 -0.55 0.00 0.00 41.25 40.15 3g1f s ASN 210 CO 0.69 -0.18 1.08 1.55 -2.79 0.00 0.00 177.10 177.46 3g1f h PRO 211 N 8.26 -0.61 -0.49 0.43 0.13 -1.77 -2.30 132.00 135.65 3g1f h PRO 211 Ca -0.23 0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3g1f h PRO 211 Cb 1.13 0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 3g1f h PRO 211 CO 0.33 -0.41 0.15 0.00 -0.23 0.00 0.00 178.00 177.84 3g1f h ALA 212 N -1.61 0.59 0.00 -0.56 0.00 -1.90 -1.35 119.26 114.43 3g1f h ALA 212 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g1f h ALA 212 Cb 0.48 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3g1f h ALA 212 CO 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 179.25 179.07 3g1f h ALA 213 N 1.35 1.12 0.23 0.00 0.00 -1.91 0.17 119.26 120.23 3g1f h ALA 213 Ca 0.24 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.79 3g1f h ALA 213 Cb 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.10 3g1f h ALA 213 CO -0.27 0.04 -1.44 0.00 0.00 0.00 0.00 179.25 177.58 3g1f h ALA 214 N 1.97 -0.12 -0.02 0.00 0.00 -0.65 -2.81 119.26 117.61 3g1f h ALA 214 Ca -0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 54.91 53.88 3g1f h ALA 214 Cb 0.22 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3g1f h ALA 214 CO 0.00 0.73 -0.78 0.00 0.00 0.00 0.00 179.25 179.20 3g1f h ALA 215 N 0.22 0.64 0.00 0.00 0.00 -0.87 -2.48 119.26 116.76 3g1f h ALA 215 Ca -0.24 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3g1f h ALA 215 Cb 2.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3g1f h ALA 215 CO 0.27 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.37 3g1f n ALA 216 N -2.46 2.00 -0.01 0.00 0.00 0.53 -2.17 120.51 118.39 3g1f n ALA 216 Ca -0.03 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 3g1f n ALA 216 Cb 0.74 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 3g1f n ALA 216 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g1f h GLY 217 N 3.68 0.24 0.96 0.00 0.00 -1.20 -2.78 103.07 103.98 3g1f h GLY 217 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3g1f h GLY 217 CO 0.00 0.54 -0.07 -2.22 0.00 0.00 0.00 176.54 174.79 3g1f h ILE 218 N -0.27 0.87 -0.22 2.60 2.04 -1.37 -0.31 117.51 120.85 3g1f h ILE 218 Ca -0.37 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3g1f h ILE 218 Cb 1.80 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 3g1f h ILE 218 CO 0.02 0.02 -0.08 0.40 0.00 0.00 0.00 178.15 178.51 3g1f h ILE 219 N -0.25 0.72 0.00 -0.67 2.04 -1.60 0.34 117.51 118.09 3g1f h ILE 219 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3g1f h ILE 219 Cb 0.19 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3g1f h ILE 219 CO 0.03 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.56 3g1f n GLU 220 N -5.24 0.05 -0.02 2.37 -0.58 -1.05 0.10 120.64 116.27 3g1f n GLU 220 Ca -0.02 0.46 0.13 0.00 -0.42 0.00 0.00 57.16 57.32 3g1f n GLU 220 Cb 0.16 -1.63 0.54 0.00 -0.57 0.00 0.00 31.44 29.95 3g1f n GLU 220 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3g1f n SER 221 N -1.72 1.30 0.00 1.62 7.64 0.12 -4.06 113.62 118.52 3g1f n SER 221 Ca 0.01 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.40 3g1f n SER 221 Cb 0.07 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3g1f n SER 221 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g1f n ILE 222 N 0.03 0.00 -1.52 0.44 5.41 0.80 -4.61 119.36 119.91 3g1f n ILE 222 Ca 0.19 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.54 3g1f n ILE 222 Cb 0.31 0.89 -0.07 0.00 -0.71 0.00 0.00 39.64 40.05 3g1f n ILE 222 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3g1f n LYS 223 N 0.00 0.76 0.00 0.38 4.81 0.28 -1.20 118.16 123.19 3g1f n LYS 223 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3g1f n LYS 223 Cb 0.08 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.42 3g1f n LYS 223 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3g1f n ASP 224 N 13.31 0.00 0.00 3.14 5.75 -1.26 -5.02 116.55 132.46 3g1f n ASP 224 Ca 0.46 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 55.39 3g1f n ASP 224 Cb 0.34 0.00 0.90 0.00 -1.03 0.00 0.00 41.12 41.33 3g1f n ASP 224 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27